3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide

C20H18N6O — CID 77089996

IUPAC3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCc2ccccc2-n2cccn2)c1-c1ccccc1
InChIInChI=1S/C20H18N6O/c21-19-17(14-7-2-1-3-8-14)18(24-25-19)20(27)22-13-15-9-4-5-10-16(15)26-12-6-11-23-26/h1-12H,13H2,(H,22,27)(H3,21,24,25)
InChIKeyYIUABKPYWROMBV-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 77089996) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID77089996
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCc2ccccc2-n2cccn2)c1-c1ccccc1
InChIInChI=1S/C20H18N6O/c21-19-17(14-7-2-1-3-8-14)18(24-25-19)20(27)22-13-15-9-4-5-10-16(15)26-12-6-11-23-26/h1-12H,13H2,(H,22,27)(H3,21,24,25)
InChIKeyYIUABKPYWROMBV-UHFFFAOYSA-N
XLogP2.77
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 77089996) is 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is Nc1n[nH]c(C(=O)NCc2ccccc2-n2cccn2)c1-c1ccccc1.
What is the InChIKey of 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YIUABKPYWROMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-19-17(14-7-2-1-3-8-14)18(24-25-19)20(27)22-13-15-9-4-5-10-16(15)26-12-6-11-23-26/h1-12H,13H2,(H,22,27)(H3,21,24,25).
What are the key properties of 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 77089996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).